2-브로모-3'-하이드록시아세토펜온

3-Hydroxyphenacyl bromide

HCID 6917206

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2491-37-4
표준 SMILES: O=C(CBr)c1cccc(O)c1
InChIKey: IEPSGFQQGKPTPM-UHFFFAOYSA-N
분자식: C8H7BrO2
평균 분자량: 215.04 g/mol
단동위원소 질량: 213.96294156

이름 및 식별자

우선 이름: 3-Hydroxyphenacyl bromide
IUPAC: 2-bromo-1-(3-hydroxyphenyl)ethanone
현지명: 2-브로모-3'-하이드록시아세토펜온
영어명: 2-Bromo-3′-hydroxyacetophenone
분자식: C8H7BrO2
분자량: 215.04

이름 및 동의어

2-bromo-1-(3-hydroxyphenyl)ethanone3-Hydroxyphenacyl bromideRefChem:502584626-298-82491-37-42-Bromo-3'-hydroxyacetophenone2-Bromo-1-(3-hydroxyphenyl)ethan-1-one2-Bromo-3-HydroxyacetophenoneEthanone, 2-bromo-1-(3-hydroxyphenyl)-MFCD056643262-Bromo-3`-hydroxyacetophenoneSCHEMBL1361623

이름 더 보기

2-브로모-3'-하이드록시아세토펜온Carteolol Impurity 13Phenylephrine Impurity 643- (2-bromoacetyl) phenol2-Bromo-3’-hydroxyacetophenoneomega-Bromo-m-hydroxyacetophenoneEthanone,2-broMo-1-(3-hydroxyphenyl)-2-Bromo-3-Hydroxyacetophenone (2-Bromo-3-HAP)2-Bromo-3'-hydroxyacetophenone, 2-Bromo-1-(3-hydroxyphenyl)ethan-1-one, 3-(Bromoacetyl)phenol

2-Bromo-3?-hydroxyacetophenone2-bromo-1-(3-hydroxylphenyl)ethanoneAKOS008901359CS-W014906PS-10011SY064475m-bromoacetylphenol2-Bromo-1-(3-hydroxyphenyl) Ethanone; 3-Hydroxyphenacyl Bromide; m-Bromoacetylphenol;

데이터베이스 식별자

CAS: 2491-37-4
PubChem CID: 6917206
DTXSID: DTXSID90426038
EC Number: 626-298-8
Nikkaji: J1.502.046F

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 147

물리화학적 성질

녹는점: 70 · 70-74 °C(lit.)
끓는 점: 327.8 · 327.8±22.0 °C(Predicted)
밀도: 1.622 · 1.622±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: soluble in Dichloromethane, Ethyl Acetate, Methanol
산도 계수 (pKa): 8.97 · 8.97±0.10(Predicted)
물리적 상태: 가루
색상: Fawn to brown
InChI: InChI=1S/C8H7BrO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,10H,5H2
InChIKey: IEPSGFQQGKPTPM-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=CC(O)=C1)CBr

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95.1%)

안전 데이터

wgk: 3
ridadr: UN 3263 8/PG 2
HS 번호: 29147000
risk_code: 22-34-43
hazard_code: C
safety_code: 26-36/37/39-45
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1BSkin Sens. 1
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도Reactant involved in the synthesis of: Pyrrole-3-carboxylic acidsN-aryl-N-thiazolyl compounds via the Hantzsch reactionDisubstituted oxadiazolylindole derivatives with antiinflammatory, analgesic and nitric oxide releasing activityAnilino-aryl-thiazoles with inhibitory activity toward valosin-containing proteinsTyrosine kinase erythropoietin inhibitorsE. coli methionine aminopeptidase inhibitors